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High-performance scientific simulations, important for comprehension of complex systems, encounter computational challenges especially when exploring extensive parameter spaces. There has been an increasing interest in developing deep…

Machine Learning · Computer Science 2024-07-15 Pradeep Bajracharya , Javier Quetzalcóatl Toledo-Marín , Geoffrey Fox , Shantenu Jha , Linwei Wang

Many physics and engineering applications demand Partial Differential Equations (PDE) property evaluations that are traditionally computed with resource-intensive high-fidelity numerical solvers. Data-driven surrogate models provide an…

Machine Learning · Computer Science 2023-12-18 Raphaël Pestourie , Youssef Mroueh , Chris Rackauckas , Payel Das , Steven G. Johnson

This paper proposes a Fast Graph Convolutional Neural Network (FGRNN) architecture to predict sequences with an underlying graph structure. The proposed architecture addresses the limitations of the standard recurrent neural network (RNN),…

Signal Processing · Electrical Eng. & Systems 2020-01-28 Sai Kiran Kadambari , Sundeep Prabhakar Chepuri

This work proposes a data-driven surrogate modeling framework for cost-effectively inferring the torque of a permanent magnet synchronous machine under geometric design variations. The framework is separated into a reduced-order modeling…

Computational Engineering, Finance, and Science · Computer Science 2025-03-13 Aylar Partovizadeh , Sebastian Schöps , Dimitrios Loukrezis

In recent years, the increasing size of deep learning models and their growing demand for computational resources have drawn significant attention to the practice of pruning neural networks, while aiming to preserve their accuracy. In…

Computer Vision and Pattern Recognition · Computer Science 2024-11-11 Lingkai Zhu , Can Deniz Bezek , Orcun Goksel

Many important computer vision tasks are naturally formulated to have a non-differentiable objective. Therefore, the standard, dominant training procedure of a neural network is not applicable since back-propagation requires the gradients…

Computer Vision and Pattern Recognition · Computer Science 2023-05-04 Yash Patel

Gradient regularization (GR) is a method that penalizes the gradient norm of the training loss during training. While some studies have reported that GR can improve generalization performance, little attention has been paid to it from the…

Machine Learning · Computer Science 2023-02-06 Ryo Karakida , Tomoumi Takase , Tomohiro Hayase , Kazuki Osawa

With the introduction of the transformer architecture in computer vision, increasing model scale has been demonstrated as a clear path to achieving performance and robustness gains. However, with model parameter counts reaching the…

Computer Vision and Pattern Recognition · Computer Science 2024-09-04 Jochem Loedeman , Maarten C. Stol , Tengda Han , Yuki M. Asano

We introduce Deep Jump Gaussian Processes (DJGP), a novel method for surrogate modeling of a piecewise continuous function on a high-dimensional domain. DJGP addresses the limitations of conventional Jump Gaussian Processes (JGP) in…

Machine Learning · Computer Science 2026-01-16 Yang Xu , Chiwoo Park

Simulation of complex dynamical systems arising in many applications is computationally challenging due to their size and complexity. Model order reduction, machine learning, and other types of surrogate modeling techniques offer cheaper…

Numerical Analysis · Mathematics 2026-02-11 Steven Roberts , Andrey A Popov , Arash Sarshar , Adrian Sandu

Neural Ordinary Differential Equations (Neural ODEs) represent a significant breakthrough in deep learning, promising to bridge the gap between machine learning and the rich theoretical frameworks developed in various mathematical fields…

Machine Learning · Computer Science 2024-09-24 Jaouad Dabounou

As the scales of neural networks increase, techniques that enable them to run with low computational cost and energy efficiency are required. From such demands, various efficient neural network paradigms, such as spiking neural networks…

Machine Learning · Computer Science 2023-02-06 Kazuma Suetake , Shin-ichi Ikegawa , Ryuji Saiin , Yoshihide Sawada

Physically plausible fluid simulations play an important role in modern computer graphics and engineering. However, in order to achieve real-time performance, computational speed needs to be traded-off with physical accuracy. Surrogate…

Fluid Dynamics · Physics 2021-05-19 Nils Wandel , Michael Weinmann , Reinhard Klein

Uncertainty estimation in large deep-learning models is a computationally challenging task, where it is difficult to form even a Gaussian approximation to the posterior distribution. In such situations, existing methods usually resort to a…

Machine Learning · Computer Science 2019-01-15 Aaron Mishkin , Frederik Kunstner , Didrik Nielsen , Mark Schmidt , Mohammad Emtiyaz Khan

Particle-based variational inference (VI) minimizes the KL divergence between model samples and the target posterior with gradient flow estimates. With the popularity of Stein variational gradient descent (SVGD), the focus of particle-based…

Machine Learning · Statistics 2023-04-19 Hanze Dong , Xi Wang , Yong Lin , Tong Zhang

This paper introduces Tempered Fractional Gradient Descent (TFGD), a novel optimization framework that synergizes fractional calculus with exponential tempering to enhance gradient-based learning. Traditional gradient descent methods often…

Machine Learning · Computer Science 2025-04-29 Omar Naifar

We present a novel approach to accelerate stochastic gradient descent (SGD) by utilizing curvature information obtained from Hessian-vector products or finite differences of parameters and gradients, similar to the BFGS algorithm. Our…

Machine Learning · Computer Science 2024-02-08 Omead Pooladzandi , Xi-Lin Li

Spiking Neural Networks (SNNs) offer a biologically inspired computational paradigm that emulates neuronal activity through discrete spike-based processing. Despite their advantages, training SNNs with traditional backpropagation (BP)…

Neural and Evolutionary Computing · Computer Science 2025-05-28 Mohammadnavid Ghader , Saeed Reza Kheradpisheh , Bahar Farahani , Mahmood Fazlali

Deep Gaussian processes (DGPs) are increasingly popular as predictive models in machine learning (ML) for their non-stationary flexibility and ability to cope with abrupt regime changes in training data. Here we explore DGPs as surrogates…

Methodology · Statistics 2021-08-27 Annie Sauer , Robert B. Gramacy , David Higdon

Derivative-Free Optimization (DFO) involves methods that rely solely on evaluations of the objective function. One of the earliest strategies for designing DFO methods is to adapt first-order methods by replacing gradients with…

Optimization and Control · Mathematics 2025-02-12 Timothé Taminiau , Estelle Massart , Geovani Nunes Grapiglia